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First CVS commit.  Minor changes in the introduction.  More changes to follow...

Chris

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# User Rev Content
1 chrisfen 757 \begin{thebibliography}{30}
2 chrisfen 743 \expandafter\ifx\csname natexlab\endcsname\relax\def\natexlab#1{#1}\fi
3     \expandafter\ifx\csname bibnamefont\endcsname\relax
4     \def\bibnamefont#1{#1}\fi
5     \expandafter\ifx\csname bibfnamefont\endcsname\relax
6     \def\bibfnamefont#1{#1}\fi
7     \expandafter\ifx\csname citenamefont\endcsname\relax
8     \def\citenamefont#1{#1}\fi
9     \expandafter\ifx\csname url\endcsname\relax
10     \def\url#1{\texttt{#1}}\fi
11     \expandafter\ifx\csname urlprefix\endcsname\relax\def\urlprefix{URL }\fi
12     \providecommand{\bibinfo}[2]{#2}
13     \providecommand{\eprint}[2][]{\url{#2}}
14    
15     \bibitem[{\citenamefont{Jorgensen et~al.}(1983)\citenamefont{Jorgensen,
16     Chandrasekhar, Madura, Impey, and Klein}}]{Jorgensen83}
17     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
18     \bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Chandrasekhar}},
19     \bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Madura}},
20     \bibinfo{author}{\bibfnamefont{R.~W.} \bibnamefont{Impey}}, \bibnamefont{and}
21     \bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Klein}},
22     \bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{79}},
23     \bibinfo{pages}{926} (\bibinfo{year}{1983}).
24    
25     \bibitem[{\citenamefont{Berendsen et~al.}(1987)\citenamefont{Berendsen,
26     Grigera, and Straatsma}}]{Berendsen87}
27     \bibinfo{author}{\bibfnamefont{H.~J.~C.} \bibnamefont{Berendsen}},
28     \bibinfo{author}{\bibfnamefont{J.~R.} \bibnamefont{Grigera}},
29     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.~P.}
30     \bibnamefont{Straatsma}}, \bibinfo{journal}{J. Phys. Chem.}
31     \textbf{\bibinfo{volume}{91}}, \bibinfo{pages}{6269} (\bibinfo{year}{1987}).
32    
33     \bibitem[{\citenamefont{Mahoney and Jorgensen}(2000)}]{Jorgensen00}
34     \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
35     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
36     \bibinfo{journal}{J. Chem. Phys.}
37     \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{20}), \bibinfo{pages}{8910}
38     (\bibinfo{year}{2000}).
39    
40     \bibitem[{\citenamefont{Mahoney and Jorgensen}(2001)}]{Jorgensen01}
41     \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
42     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
43     \bibinfo{journal}{J. Chem. Phys.}
44     \textbf{\bibinfo{volume}{114}}(\bibinfo{number}{1}), \bibinfo{pages}{363}
45     (\bibinfo{year}{2001}).
46    
47     \bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{a}})}]{Ichiye96}
48     \bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and}
49     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
50     \bibinfo{journal}{J. Phys. Chem.} \textbf{\bibinfo{volume}{100}},
51     \bibinfo{pages}{2723} (\bibinfo{year}{1996}{\natexlab{a}}).
52    
53     \bibitem[{\citenamefont{Bratko et~al.}(1985)\citenamefont{Bratko, Blum, and
54     Luzar}}]{Bratko85}
55     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}},
56     \bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, \bibnamefont{and}
57     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Luzar}}, \bibinfo{journal}{J.
58     Chem. Phys.} \textbf{\bibinfo{volume}{83}}(\bibinfo{number}{12}),
59     \bibinfo{pages}{6367} (\bibinfo{year}{1985}).
60    
61     \bibitem[{\citenamefont{Blum et~al.}(1995)\citenamefont{Blum, Vericat, and
62     Bratko}}]{Bratko95}
63     \bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}},
64     \bibinfo{author}{\bibfnamefont{F.}~\bibnamefont{Vericat}}, \bibnamefont{and}
65     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}},
66     \bibinfo{journal}{J. Chem. Phys.}
67     \textbf{\bibinfo{volume}{102}}(\bibinfo{number}{3}), \bibinfo{pages}{1461}
68     (\bibinfo{year}{1995}).
69    
70     \bibitem[{\citenamefont{Chandra and Ichiye}(1999)}]{Ichiye99}
71     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}} \bibnamefont{and}
72     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
73     \bibinfo{journal}{J. Chem. Phys.}
74     \textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{2701}
75     (\bibinfo{year}{1999}).
76    
77 chrisfen 757 \bibitem[{\citenamefont{Sagui and Darden}(1999)}]{Darden99}
78     \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Sagui}} \bibnamefont{and}
79     \bibinfo{author}{\bibfnamefont{T.~A.} \bibnamefont{Darden}},
80     \bibinfo{journal}{Annu. Rev. Biophys. Biomol. Struct.}
81     \textbf{\bibinfo{volume}{28}}, \bibinfo{pages}{155} (\bibinfo{year}{1999}).
82    
83 chrisfen 743 \bibitem[{\citenamefont{Liu and Ichiye}(1996{\natexlab{b}})}]{Ichiye96b}
84     \bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and}
85     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
86     \bibinfo{journal}{Chem. Phys. Lett.} \textbf{\bibinfo{volume}{256}},
87     \bibinfo{pages}{334} (\bibinfo{year}{1996}{\natexlab{b}}).
88    
89     \bibitem[{\citenamefont{Allen and Tildesley}(1987)}]{AllenTildesley}
90     \bibinfo{author}{\bibfnamefont{M.~P.} \bibnamefont{Allen}} \bibnamefont{and}
91     \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{Tildesley}},
92     \emph{\bibinfo{title}{Computer Simulation of Liquids}}
93     (\bibinfo{publisher}{Oxford University Press}, \bibinfo{address}{New York},
94     \bibinfo{year}{1987}).
95    
96     \bibitem[{\citenamefont{van~der Spoel et~al.}(1998)\citenamefont{van~der Spoel,
97     van Maaren, and Berendsen}}]{Berendsen98}
98     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{van~der Spoel}},
99     \bibinfo{author}{\bibfnamefont{P.~J.} \bibnamefont{van Maaren}},
100     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{H.~J.~C.}
101     \bibnamefont{Berendsen}}, \bibinfo{journal}{J. Chem. Phys.}
102     \textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{10220}
103     (\bibinfo{year}{1998}).
104    
105     \bibitem[{\citenamefont{Hoover}(1985)}]{Hoover85}
106     \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
107     \bibinfo{journal}{Phys. Rev. A}
108     \textbf{\bibinfo{volume}{31}}(\bibinfo{number}{3}), \bibinfo{pages}{1695}
109     (\bibinfo{year}{1985}).
110    
111     \bibitem[{\citenamefont{Hoover}(1986)}]{Hoover86}
112     \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
113     \bibinfo{journal}{Phys. Rev. A}
114     \textbf{\bibinfo{volume}{34}}(\bibinfo{number}{3}), \bibinfo{pages}{2499}
115     (\bibinfo{year}{1986}).
116    
117     \bibitem[{\citenamefont{Dullweber et~al.}(1997)\citenamefont{Dullweber,
118     Leimkuhler, and McLachlan}}]{Dullweber1997}
119     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Dullweber}},
120     \bibinfo{author}{\bibfnamefont{B.}~\bibnamefont{Leimkuhler}},
121     \bibnamefont{and}
122     \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{McLachlan}},
123     \bibinfo{journal}{J. Chem. Phys.}
124     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{15}), \bibinfo{pages}{5840}
125     (\bibinfo{year}{1997}).
126    
127     \bibitem[{\citenamefont{Kol et~al.}(1997)\citenamefont{Kol, Laird, and
128     Leimkuhler}}]{Laird97}
129     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Kol}},
130     \bibinfo{author}{\bibfnamefont{B.~B.} \bibnamefont{Laird}}, \bibnamefont{and}
131     \bibinfo{author}{\bibfnamefont{B.~J.} \bibnamefont{Leimkuhler}},
132     \bibinfo{journal}{J. Chem. Phys.}
133     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{7}), \bibinfo{pages}{2580}
134     (\bibinfo{year}{1997}).
135    
136     \bibitem[{\citenamefont{Bernal and Fowler}(1933)}]{Bernal33}
137     \bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Bernal}} \bibnamefont{and}
138     \bibinfo{author}{\bibfnamefont{R.~H.} \bibnamefont{Fowler}},
139     \bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{1}},
140     \bibinfo{pages}{515} (\bibinfo{year}{1933}).
141    
142     \bibitem[{\citenamefont{Rahman and Stillinger}(1972)}]{Rahman72}
143     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Rahman}} \bibnamefont{and}
144     \bibinfo{author}{\bibfnamefont{F.~H.} \bibnamefont{Stillinger}},
145     \bibinfo{journal}{J. Chem. Phys.}
146     \textbf{\bibinfo{volume}{57}}(\bibinfo{number}{9}), \bibinfo{pages}{4009}
147     (\bibinfo{year}{1972}).
148    
149     \bibitem[{\citenamefont{Jorgensen and Jenson}(1998)}]{Jorgensen98b}
150     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}
151     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Jenson}},
152     \bibinfo{journal}{J. Comput. Chem.}
153     \textbf{\bibinfo{volume}{19}}(\bibinfo{number}{10}), \bibinfo{pages}{1179}
154     (\bibinfo{year}{1998}).
155    
156     \bibitem[{\citenamefont{B\'{a}ez and Clancy}(1994)}]{Clancy94}
157     \bibinfo{author}{\bibfnamefont{L.~A.} \bibnamefont{B\'{a}ez}} \bibnamefont{and}
158     \bibinfo{author}{\bibfnamefont{P.}~\bibnamefont{Clancy}},
159     \bibinfo{journal}{J. Chem. Phys.}
160     \textbf{\bibinfo{volume}{101}}(\bibinfo{number}{11}), \bibinfo{pages}{9837}
161     (\bibinfo{year}{1994}).
162    
163     \bibitem[{\citenamefont{Weast}(1980)}]{CRC80}
164     \bibinfo{editor}{\bibfnamefont{R.~C.} \bibnamefont{Weast}}, ed.,
165     \emph{\bibinfo{title}{CRC Handbook of Chemistry and Physics}}
166     (\bibinfo{publisher}{CRC Press, Inc.}, \bibinfo{address}{Boca Raton, FL},
167     \bibinfo{year}{1980}), \bibinfo{edition}{60th} ed.
168    
169     \bibitem[{\citenamefont{Gillen et~al.}(1972)\citenamefont{Gillen, Douglas, and
170     Hoch}}]{Gillen72}
171     \bibinfo{author}{\bibnamefont{Gillen}},
172     \bibinfo{author}{\bibnamefont{Douglas}}, \bibnamefont{and}
173     \bibinfo{author}{\bibnamefont{Hoch}}, \bibinfo{journal}{J. Chem. Phys.}
174     \textbf{\bibinfo{volume}{57}}, \bibinfo{pages}{5117} (\bibinfo{year}{1972}).
175    
176     \bibitem[{\citenamefont{Mills}(1973)}]{Mills73}
177     \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{Mills}}, \bibinfo{journal}{J.
178     Phys. Chem.} \textbf{\bibinfo{volume}{77}}(\bibinfo{number}{5}),
179     \bibinfo{pages}{685} (\bibinfo{year}{1973}).
180    
181     \bibitem[{\citenamefont{Hura et~al.}(2000)\citenamefont{Hura, Sorenson,
182     Glaeser, and Head-Gordon}}]{Head-Gordon00_1}
183     \bibinfo{author}{\bibfnamefont{G.}~\bibnamefont{Hura}},
184     \bibinfo{author}{\bibfnamefont{J.~M.} \bibnamefont{Sorenson}},
185     \bibinfo{author}{\bibfnamefont{R.~M.} \bibnamefont{Glaeser}},
186     \bibnamefont{and}
187     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Head-Gordon}},
188     \bibinfo{journal}{J. Chem. Phys.}
189     \textbf{\bibinfo{volume}{113}}(\bibinfo{number}{20}), \bibinfo{pages}{9140}
190     (\bibinfo{year}{2000}).
191    
192     \bibitem[{\citenamefont{Soper and Phillips}(1986)}]{Soper86}
193     \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}} \bibnamefont{and}
194     \bibinfo{author}{\bibfnamefont{M.~G.} \bibnamefont{Phillips}},
195     \bibinfo{journal}{Chem. Phys.}
196     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{1}), \bibinfo{pages}{47}
197     (\bibinfo{year}{1986}).
198    
199     \bibitem[{\citenamefont{Sprik}(1991)}]{Sprik91}
200     \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Sprik}}, \bibinfo{journal}{J.
201     Chem. Phys.} \textbf{\bibinfo{volume}{95}}(\bibinfo{number}{9}),
202     \bibinfo{pages}{6762} (\bibinfo{year}{1991}).
203    
204     \bibitem[{\citenamefont{Gubskaya and Kusalik}(2002)}]{Kusalik02}
205     \bibinfo{author}{\bibfnamefont{A.~V.} \bibnamefont{Gubskaya}} \bibnamefont{and}
206     \bibinfo{author}{\bibfnamefont{P.~G.} \bibnamefont{Kusalik}},
207     \bibinfo{journal}{J. Chem. Phys.}
208     \textbf{\bibinfo{volume}{117}}(\bibinfo{number}{11}), \bibinfo{pages}{5290}
209     (\bibinfo{year}{2002}).
210    
211     \bibitem[{\citenamefont{Badyal et~al.}(2000)\citenamefont{Badyal, Saboungi,
212     Price, Shastri, Haeffner, and Soper}}]{Badyal00}
213     \bibinfo{author}{\bibfnamefont{Y.~S.} \bibnamefont{Badyal}},
214     \bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Saboungi}},
215     \bibinfo{author}{\bibfnamefont{D.~L.} \bibnamefont{Price}},
216     \bibinfo{author}{\bibfnamefont{S.~D.} \bibnamefont{Shastri}},
217     \bibinfo{author}{\bibfnamefont{D.~R.} \bibnamefont{Haeffner}},
218     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}},
219     \bibinfo{journal}{J. Chem. Phys.}
220     \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{21}), \bibinfo{pages}{9206}
221     (\bibinfo{year}{2000}).
222    
223     \bibitem[{\citenamefont{Barriol and Weisbecker}(1964)}]{Barriol64}
224     \bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Barriol}} \bibnamefont{and}
225     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Weisbecker}},
226     \bibinfo{journal}{Compt. Rend. Acad. Sc. Paris}
227     \textbf{\bibinfo{volume}{259}}, \bibinfo{pages}{4643} (\bibinfo{year}{1964}).
228    
229     \bibitem[{\citenamefont{Brooks et~al.}(1983)\citenamefont{Brooks, Bruccoleri,
230     Olafson, States, Swaminathan, and Karplus}}]{Karplus83}
231     \bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}},
232     \bibinfo{author}{\bibfnamefont{R.~E.} \bibnamefont{Bruccoleri}},
233     \bibinfo{author}{\bibfnamefont{B.~D.} \bibnamefont{Olafson}},
234     \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{States}},
235     \bibinfo{author}{\bibfnamefont{S.}~\bibnamefont{Swaminathan}},
236     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Karplus}},
237     \bibinfo{journal}{J. Comput. Chem.}
238     \textbf{\bibinfo{volume}{4}}(\bibinfo{number}{2}), \bibinfo{pages}{187}
239     (\bibinfo{year}{1983}).
240    
241     \end{thebibliography}